Abstract
The quantum properties of Au–Mn nanowires are analyzed theoretically from first principles. The emergence of magnetic properties in these nanowires, consisting of nonmagnetic elements, is demonstrated. It is shown that the manganese atoms carry fairly large magnetic moments (∼4.3 μB), although crystalline Mn is a paramagnet. Analysis of the electronic structure of these bimetallic nanowires indicates that the magnetic moments at the Mn atoms arise owing to the formation of a complicated structure of hybrid orbitals. Furthermore, it is found that the antiferromagnetic state in Au–Mn nanowires is stabilized by the occurrence of indirect exchange interaction between Mn atoms.
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